SCHEMBL1978634

SCHEMBL1978634

COC(=O)c1ccc(OCCCN2C[C@H]3CC[C@H]3C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.65
KDM4E B2RXH2 3/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPT P10636 2/20 0.59
RAB9A P51151 1/20 0.54
HRH2 P25021 3/20 0.53
HRH1 P35367 3/20 0.53
DRD2 P14416 1/20 0.50
MAOB P27338 1/20 0.50
KCNH2 Q12809 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3824026 0.92 KDM4E (0.64) HRH3KDM4EMEN1ALDH1A1HTT
SCHEMBL4101085 0.86 KDM4E (0.66) HRH3KDM4EMEN1ALDH1A1HTT
SCHEMBL4101087 0.86 KDM4E (0.66) HRH3KDM4EMEN1ALDH1A1HTT
SCHEMBL4101089 0.86 KDM4E (0.66) HRH3KDM4EMEN1ALDH1A1HTT
SCHEMBL2025211 0.86 HRH3 (0.64) HRH3KDM4EMEN1ALDH1A1HTT
SCHEMBL1979241 0.85 HRH3 (0.70) HRH3KDM4EMEN1ALDH1A1HTT
Hydrochloric Acid SCHEMBL1977487 0.85 HRH3 (0.62) HRH3KDM4EMEN1ALDH1A1HTT
SCHEMBL1977578 0.84 HRH3 (0.90) HRH3HRH2HRH1MAOB
SCHEMBL1978514 0.83 HRH3 (0.64) HRH3HRH2HRH1MAOB
Hydrochloric Acid SCHEMBL1979057 0.83 HRH3 (0.88) HRH3HRH2HRH1MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008337-B2 Azabicyclo[3.2.0] hept-3-yl compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-08-30 US disclosed
US-20110136886-A1 Azabicyclo[3.2.0] hept-3-yl compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-06-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110136886-A1 Azabicyclo[3.2.0] hept-3-yl compounds, a process for their preparation and pharmaceutical compositions containing them HRH2, HRH4, HRH3 HRH3 3/4885KDM4E 421/4885MEN1 2158/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.